2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide

C21H23N5O5 — CID 118624751

IUPAC2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
SMILESCOc1ccc(-c2cc3nccnc3c(OCC3CN(C(N)=O)CCO3)n2)cc1OC
InChIInChI=1S/C21H23N5O5/c1-28-17-4-3-13(9-18(17)29-2)15-10-16-19(24-6-5-23-16)20(25-15)31-12-14-11-26(21(22)27)7-8-30-14/h3-6,9-10,14H,7-8,11-12H2,1-2H3,(H2,22,27)
InChIKeyPBZYILAQYYWYPE-UHFFFAOYSA-N
MW425.45 g/mol
LogP1.87
Rot. Bonds6

About 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide

2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide (PubChem CID 118624751) has the molecular formula C21H23N5O5 and a molecular weight of 425.45 g/mol. Its IUPAC name is 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
PubChem CID118624751
Molecular FormulaC21H23N5O5
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
SMILESCOc1ccc(-c2cc3nccnc3c(OCC3CN(C(N)=O)CCO3)n2)cc1OC
InChIInChI=1S/C21H23N5O5/c1-28-17-4-3-13(9-18(17)29-2)15-10-16-19(24-6-5-23-16)20(25-15)31-12-14-11-26(21(22)27)7-8-30-14/h3-6,9-10,14H,7-8,11-12H2,1-2H3,(H2,22,27)
InChIKeyPBZYILAQYYWYPE-UHFFFAOYSA-N
XLogP1.87
TPSA121.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide?
The IUPAC name of 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide (CID 118624751) is 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide?
The canonical SMILES for 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide is COc1ccc(-c2cc3nccnc3c(OCC3CN(C(N)=O)CCO3)n2)cc1OC.
What is the InChIKey of 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide?
The InChIKey is PBZYILAQYYWYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5/c1-28-17-4-3-13(9-18(17)29-2)15-10-16-19(24-6-5-23-16)20(25-15)31-12-14-11-26(21(22)27)7-8-30-14/h3-6,9-10,14H,7-8,11-12H2,1-2H3,(H2,22,27).
What are the key properties of 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide?
2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(3,4-dimethoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide is sourced from PubChem (CID 118624751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).